(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide

C20H27N3O2 — CID 94365647

IUPAC(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1
InChIInChI=1S/C20H27N3O2/c1-4-10-21-19(24)15-7-6-11-23(12-15)20(25)17-9-5-8-16-13(2)14(3)22-18(16)17/h5,8-9,15,22H,4,6-7,10-12H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyRRKXQZHMPRRXEG-HNNXBMFYSA-N
MW341.46 g/mol
LogP3.16
Rot. Bonds4

About (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide

(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide (PubChem CID 94365647) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide
PubChem CID94365647
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1
InChIInChI=1S/C20H27N3O2/c1-4-10-21-19(24)15-7-6-11-23(12-15)20(25)17-9-5-8-16-13(2)14(3)22-18(16)17/h5,8-9,15,22H,4,6-7,10-12H2,1-3H3,(H,21,24)/t15-/m0/s1
InChIKeyRRKXQZHMPRRXEG-HNNXBMFYSA-N
XLogP3.16
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
CID 42100234
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
1-(2,5-dimethylfuran-3-carbonyl)-N-propylpiperidine-3-carboxamide
CID 4074750
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
(2,3-dimethyl-1H-indol-7-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 72848556
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97433741
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 94392069

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide (CID 94365647) is (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc3c(C)c(C)[nH]c23)C1.
What is the InChIKey of (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is RRKXQZHMPRRXEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-10-21-19(24)15-7-6-11-23(12-15)20(25)17-9-5-8-16-13(2)14(3)22-18(16)17/h5,8-9,15,22H,4,6-7,10-12H2,1-3H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide?
(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 94365647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).